First-principles calculation of magnetic, structural, dynamic, electronic, elastic, thermodynamic and thermoelectric properties of Co2ZrZ (Z= Al, Si) Heusler alloys

SS Essaoud, AS Jbara - Journal of Magnetism and Magnetic Materials, 2021 - Elsevier
Abstract Electronic, magnetic, dynamic, elastic, thermodynamic, and thermoelectric
properties for Co 2-based full Heusler alloys are investigated theoretically. The full potential …

Magnetic States and Electronic Properties of Manganese-Based Intermetallic Compounds Mn2YAl and Mn3Z (Y = V, Cr, Fe, Co, Ni; Z = Al, Ge, Sn, Si, Pt)

VV Marchenkov, VY Irkhin - Materials, 2023 - mdpi.com
We present a brief review of experimental and theoretical papers on studies of electron
transport and magnetic properties in manganese-based compounds Mn2 YZ and Mn3 Z (Y …

Thermodynamic, thermoelectric and optoelectronic performances of Co2MB (M= Nb, Ta) full-heusler compounds for solar cell and UV absorber applications

N Kaur, R Sharma, Y Al-Douri, V Srivastava… - Materials Science in …, 2023 - Elsevier
An investigation for estimating the thermodynamic, thermoelectric and optoelectronic
performances of Co 2 MB (M= Nb, Ta) full-Heusler compounds is accomplished via density …

Half-metallic ferromagnets, spin gapless semiconductors, and topological semimetals based on Heusler alloys: Theory and experiment

VV Marchenkov, VY Irkhin - Physics of Metals and Metallography, 2021 - Springer
The paper presents a review of theoretical and experimental studies of the electronic
structure and electronic and magnetic properties of various systems of Heusler alloys in the …

A potential full Heusler thermoelectric material CO2ZrZ (Z= Al, Si, Ga and Sn) in low temperature: An Ab-initio investigation

G Remil, A Zitouni, B Bouadjemi, M Houari… - Solid State …, 2021 - Elsevier
The structural, electronic, magnetic, elastic and thermoelectric properties of full-Heusler
alloys Co 2 ZrZ (Z= Al, Si, Ga and Sn) are investigated using the augmented plane wave …

Half-metallic characteristics of the novel half heusler alloys XCrSb (X= Ti, Zr, Hf)

B Iyorzor, M Babalola - Journal of the Nigerian Society of …, 2022 - journal.nsps.org.ng
Ab-initio calculations are performed to examine the structural, mechanical, electronic,
magnetic and thermodynamic properties of the half-Heusler ternary alloys XCrSb (X= H f, Ti …

Lithium Doping Effect for Enhancing Thermoelectric and Optoelectronic Performance of Co2NbAl

D Bensaid, B Doumi, S Ahmad - JETP Letters, 2022 - Springer
Cobalt-rich Heusler compounds represent a very interesting family of Heusler alloys owing
to their performance in spintronics and magnetic devices. The quaternary Heusler, created …

Search for half-metallicity in new ferrimagnetic quaternary MnXMoAl (X= Co and Ti) Heusler alloys: A DFT based investigation

M Mushtaq, MA Sattar, SA Dar, I Qasim… - Materials Chemistry and …, 2020 - Elsevier
Highly spin-polarized magnetic materials emerge as promising candidates for spintronic
technology. Herein, we present a theoretical study of two new equiatomic quaternary …

Structural and Magnetic Studies on Mn2TiSi Heusler Alloy for Spintronics Applications

R Jayashire, G Karthik, MM Raja, V Sampath… - … of Superconductivity and …, 2024 - Springer
We have looked at a very interesting class of Heusler alloy that has received a lot of
theoretical research but a very little experimental attention. Mn2TiSi Heusler alloy was …

Effects of transition metal (Cr, Mn, Mo, Ni, Ti, and V) doping on the mechanical, electronic and thermal properties of Fe3Al

Y Liu, L Zhang, S Cui, W Li - Vacuum, 2021 - Elsevier
Alloying is one of the main ways to improve the structure and mechanical properties of Fe 3
Al alloys. Here, first–principles calculations are used to study the influence of alloying …